7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol

C19H20ClN3O — CID 12612536

IUPAC7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
SMILESCCN(CC)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
InChIInChI=1S/C19H20ClN3O/c1-3-23(4-2)18-19(24)22-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-18/h5-12,19,24H,3-4H2,1-2H3
InChIKeySFVRXPFSPMIJOP-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.88
Rot. Bonds3

About 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol

7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol (PubChem CID 12612536) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol.

Molecular Properties

Compound Name7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
PubChem CID12612536
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
SMILESCCN(CC)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
InChIInChI=1S/C19H20ClN3O/c1-3-23(4-2)18-19(24)22-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-18/h5-12,19,24H,3-4H2,1-2H3
InChIKeySFVRXPFSPMIJOP-UHFFFAOYSA-N
XLogP3.88
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol?
The IUPAC name of 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol (CID 12612536) is 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol.
What is the SMILES notation for 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol?
The canonical SMILES for 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol is CCN(CC)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O.
What is the InChIKey of 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol?
The InChIKey is SFVRXPFSPMIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-23(4-2)18-19(24)22-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-18/h5-12,19,24H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol?
7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol has a molecular weight of 341.84 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol is sourced from PubChem (CID 12612536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).